SCHEMBL7557626

SCHEMBL7557626

CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.62
MEN1 O00255 2/20 0.58
POLB P06746 2/20 0.58
BLM P54132 2/20 0.58
KMT2A Q03164 2/20 0.58
NSD2 O96028 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
TOP2B Q02880 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
BRCA1 P38398 1/20 0.56
HIF1A Q16665 1/20 0.56
NPC1 O15118 1/20 0.54
MTOR P42345 1/20 0.54
RAB9A P51151 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.54
EHMT2 Q96KQ7 5/20 0.53
TOP1 P11387 1/20 0.49
ALDH1A1 P00352 1/20 0.49
EGFR P00533 1/20 0.49
LMNA P02545 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29587040 1.00 MALT1 (0.62) MALT1MEN1POLBBLMKMT2A
SCHEMBL31218590 1.00 MALT1 (0.62) MALT1MEN1POLBBLMKMT2A
SCHEMBL19743776 0.91 MALT1 (0.54) MALT1MEN1POLBBLMKMT2A
SCHEMBL31218592 0.91 SMN1; SMN2 (0.62) MALT1MEN1POLBBLMKMT2A
SCHEMBL6671719 0.91 MALT1 (0.54) MALT1MEN1POLBBLMKMT2A
SCHEMBL18984755 0.90 SMN1; SMN2 (0.67) MALT1MEN1POLBBLMKMT2A
SCHEMBL30818304 0.90 SMN1; SMN2 (0.67) MALT1MEN1POLBBLMKMT2A
SCHEMBL10399866 0.90 SMN1; SMN2 (0.54) MALT1MEN1POLBBLMKMT2A
SCHEMBL3418752 0.89 MAPT (0.63) MALT1MEN1POLBBLMKMT2A
SCHEMBL31218585 0.89 MAPT (0.63) MALT1MEN1POLBBLMKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1225169-A1 Radiation-activated cytotoxin therapy AUCKLAND UNISERVICES LIMITED (NZ) 2002-07-24 EP disclosed
US-6071908-A A RADIATION-ACTIVATED CYTOTOXIN PRODRUG HAVING LOW TOXICITY, WHICH CAN BE REDUCED BY REDUCING AGENTS GENERATED BY THE RADIOLYSIS OF WATER WHICH RELEASES AN CYTOXIC EFFECTOR; ANTITUMOR,-CARCINOGENIC AGENTS; AUCKLAND UNISERVICES LIMITED (NZ) 2000-06-06 US disclosed
US-4540583-A 1,4-BIS/AMINOETHYL-ANTHRAQUINONES AMERICAN CYANAMID COMPANY (US) 1985-09-10 US disclosed